2,4-dimethylbenzoic acid; 1-methyl-2-phenyl-benzene

Systemtic Name: 2,4-dimethylbenzoic acid; 1-methyl-2-phenyl-benzene Openeye Name: 2,4-dimethylbenzoic acid; 1-methyl-2-phenyl-benzene CAS Name: 2,4-dimethylbenzoic acid; 1-methyl-2-phenylbenzene IUPAC Name: 2,4-dimethylbenzoic acid; 1-methyl-2-phenylbenzene Traditional Name: 1-methyl-2-phenyl-benzene; 2,4-xylic acid Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C13H12.C9H10O2/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-6-3-4-8(9(10)11)7(2)5-6/h2-10H,1H3;3-5H,1-2H3,(H,10,11)